2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)ethanamide Openeye Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide CAS Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide IUPAC Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide Traditional Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(5-keto-1-phenyl-2-pyrazolin-3-yl)acetamide Formula: C13H13N7O2S MolecularWeight: 331.35302

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CSC3=NN=CN3N

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CSC3=NN=CN3N

InChI

InChI=1S/C13H13N7O2S/c14-19-8-15-17-13(19)23-7-11(21)16-10-6-12(22)20(18-10)9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H,16,18,21)